new rerun command

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1

FYI, posted an 8 Jun 12 patch with
a new rerun command. This allows
you to read a series of snapshots from
a dump file (atom or custom style only
for now), and re-process them with LAMMPS,
e.g. to compute other quantities or use
a new potential that wasn't used during
the original run. I.e. a method for doing
post-processing with LAMMPS itself.

Steve

2

Meant to include the link to the new doc page:

http://lammps.sandia.gov/doc/rerun.html

Steve

3

So for example, could you do a run, and then use rerun to do an RDF calculation at a cutoff greater than the original value?

Fred

4

yep, that will work

Steve